N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

C24H23N3O2 — CID 71839482

IUPACN-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
SMILESCc1ccc(CNC(=O)CC2c3ncccc3C(=O)N2c2cccc(C)c2)cc1
InChIInChI=1S/C24H23N3O2/c1-16-8-10-18(11-9-16)15-26-22(28)14-21-23-20(7-4-12-25-23)24(29)27(21)19-6-3-5-17(2)13-19/h3-13,21H,14-15H2,1-2H3,(H,26,28)
InChIKeyQIBIZAULWUVLPB-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.11
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (PubChem CID 71839482) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
PubChem CID71839482
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
SMILESCc1ccc(CNC(=O)CC2c3ncccc3C(=O)N2c2cccc(C)c2)cc1
InChIInChI=1S/C24H23N3O2/c1-16-8-10-18(11-9-16)15-26-22(28)14-21-23-20(7-4-12-25-23)24(29)27(21)19-6-3-5-17(2)13-19/h3-13,21H,14-15H2,1-2H3,(H,26,28)
InChIKeyQIBIZAULWUVLPB-UHFFFAOYSA-N
XLogP4.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (CID 71839482) is N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is Cc1ccc(CNC(=O)CC2c3ncccc3C(=O)N2c2cccc(C)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The InChIKey is QIBIZAULWUVLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-8-10-18(11-9-16)15-26-22(28)14-21-23-20(7-4-12-25-23)24(29)27(21)19-6-3-5-17(2)13-19/h3-13,21H,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 71839482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).